4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine

C13H24N4O2 — CID 114944716

IUPAC4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCC(C)(C)OCC)c1OC
InChIInChI=1S/C13H24N4O2/c1-6-14-11-10(18-5)12(17-9-16-11)15-8-13(3,4)19-7-2/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyBKMHZLMXLDJFBV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.14
Rot. Bonds8

About 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine

4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine (PubChem CID 114944716) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
PubChem CID114944716
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCC(C)(C)OCC)c1OC
InChIInChI=1S/C13H24N4O2/c1-6-14-11-10(18-5)12(17-9-16-11)15-8-13(3,4)19-7-2/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyBKMHZLMXLDJFBV-UHFFFAOYSA-N
XLogP2.14
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
CID 114943689
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280657
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 114944683
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944633
4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
CID 114944680
6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83147579
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855567
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198550
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 114094101
1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159733
N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
CID 102723635

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine (CID 114944716) is 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine is CCNc1ncnc(NCC(C)(C)OCC)c1OC.
What is the InChIKey of 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine?
The InChIKey is BKMHZLMXLDJFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-6-14-11-10(18-5)12(17-9-16-11)15-8-13(3,4)19-7-2/h9H,6-8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine?
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine is sourced from PubChem (CID 114944716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).